Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772434e+02 -3.184210032771824e+02 9.690000000000000e-11 -6.093614501878619e-11 PASS
Energy [step 20] -3.184088237669060e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.481038094032556e-11 PASS
Multipoles [step 0] -1.207125606396589e-03 -1.211520628226222e-03 5.140000000000000e-06 4.395021829632856e-06 PASS
Multipoles [step 20] -2.020313294250664e+00 -2.020315146839614e+00 5.140000000000000e-06 1.852588950690404e-06 PASS
Compare to other inputs